5-(3,3-dimethylbut-1-yn-1-yl)-3-iodothiophene-2-carboxylic acid CAS 1263098-96-9
| CAS No. | 1263098-96-9 |
| Molecular Formula | C11H11IO2S |
| Molecular Weight | 334.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
CATO supplies 5-(3,3-dimethylbut-1-yn-1-yl)-3-iodothiophene-2-carboxylic acid (CAS 1263098-96-9), a certified reference material (molecular formula C11H11IO2S, MW 334.17 g/mol) for analytical method development and quality control.
Based on its molecular formula C11H11IO2S, 5-(3,3-dimethylbut-1-yn-1-yl)-3-iodothiophene-2-carboxylic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 334.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C11H11IO2S |
| Molecular Weight | 334.17 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | I-containing |
| Sulfur Atoms | 1 |
Related dimethylbut Standards
- Methyl 5-(3,3-dimethylbut-1-yn-1-yl)-3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate (CAS 1612898-48-2)
- 1-(3,3-Dimethylbut-1-yn-1-yl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one (CAS 135226-09-4)
- Methyl 5-(3,3-dimethylbut-1-yn-1-yl)-3-iodothiophene-2-carboxylate (CAS 1263098-97-0)
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